2-[1-(2-cyclopentylpyrrolidin-1-yl)ethyl]-5-methoxyphenol

C18H27NO2 — CID 82956837

IUPAC2-[1-(2-cyclopentylpyrrolidin-1-yl)ethyl]-5-methoxyphenol
SMILESCOc1ccc(C(C)N2CCCC2C2CCCC2)c(O)c1
InChIInChI=1S/C18H27NO2/c1-13(16-10-9-15(21-2)12-18(16)20)19-11-5-8-17(19)14-6-3-4-7-14/h9-10,12-14,17,20H,3-8,11H2,1-2H3
InChIKeyNQRYMFSBWKABDX-UHFFFAOYSA-N
MW289.42 g/mol
LogP4.12
Rot. Bonds4

About 2-[1-(2-cyclopentylpyrrolidin-1-yl)ethyl]-5-methoxyphenol

2-[1-(2-cyclopentylpyrrolidin-1-yl)ethyl]-5-methoxyphenol (PubChem CID 82956837) has the molecular formula C18H27NO2 and a molecular weight of 289.42 g/mol. Its IUPAC name is 2-[1-(2-cyclopentylpyrrolidin-1-yl)ethyl]-5-methoxyphenol.

Molecular Properties

Compound Name2-[1-(2-cyclopentylpyrrolidin-1-yl)ethyl]-5-methoxyphenol
PubChem CID82956837
Molecular FormulaC18H27NO2
Molecular Weight289.42 g/mol
Exact Mass289.20
IUPAC Name2-[1-(2-cyclopentylpyrrolidin-1-yl)ethyl]-5-methoxyphenol
SMILESCOc1ccc(C(C)N2CCCC2C2CCCC2)c(O)c1
InChIInChI=1S/C18H27NO2/c1-13(16-10-9-15(21-2)12-18(16)20)19-11-5-8-17(19)14-6-3-4-7-14/h9-10,12-14,17,20H,3-8,11H2,1-2H3
InChIKeyNQRYMFSBWKABDX-UHFFFAOYSA-N
XLogP4.12
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2-[1-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)ethyl]-5-methoxyphenol
CID 82980642
5-methoxy-2-(1-pyrrolidin-1-ylethyl)phenol
CID 82974711
2-[1-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)ethyl]phenol
CID 82983162
5-methoxy-2-[1-(3-methoxypiperidin-1-yl)ethyl]phenol
CID 102969245
2-[1-(4-tert-butylpiperidin-1-yl)ethyl]-5-methoxyphenol
CID 82958093
2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylmethyl)-5-methoxyphenol
CID 82981783
2-[1-(2,2-dimethylpyrrolidin-1-yl)ethyl]-5-methoxyphenol
CID 82979886
5-methoxy-2-[1-[3-(methoxymethyl)pyrrolidin-1-yl]ethyl]phenol
CID 82980447
1-[1-(2-hydroxy-5-methoxyphenyl)ethyl]piperidine-2-carboxylic acid
CID 65054114
2-[1-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)ethyl]-4-chlorophenol
CID 82982851
5-methoxy-2-[1-[methyl-(1-methylpiperidin-3-yl)amino]ethyl]phenol
CID 82979480
5-methoxy-2-[1-(3,4,5-trimethylpiperazin-1-yl)ethyl]phenol
CID 114541116

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-cyclopentylpyrrolidin-1-yl)ethyl]-5-methoxyphenol?
The IUPAC name of 2-[1-(2-cyclopentylpyrrolidin-1-yl)ethyl]-5-methoxyphenol (CID 82956837) is 2-[1-(2-cyclopentylpyrrolidin-1-yl)ethyl]-5-methoxyphenol.
What is the SMILES notation for 2-[1-(2-cyclopentylpyrrolidin-1-yl)ethyl]-5-methoxyphenol?
The canonical SMILES for 2-[1-(2-cyclopentylpyrrolidin-1-yl)ethyl]-5-methoxyphenol is COc1ccc(C(C)N2CCCC2C2CCCC2)c(O)c1.
What is the InChIKey of 2-[1-(2-cyclopentylpyrrolidin-1-yl)ethyl]-5-methoxyphenol?
The InChIKey is NQRYMFSBWKABDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO2/c1-13(16-10-9-15(21-2)12-18(16)20)19-11-5-8-17(19)14-6-3-4-7-14/h9-10,12-14,17,20H,3-8,11H2,1-2H3.
What are the key properties of 2-[1-(2-cyclopentylpyrrolidin-1-yl)ethyl]-5-methoxyphenol?
2-[1-(2-cyclopentylpyrrolidin-1-yl)ethyl]-5-methoxyphenol has a molecular weight of 289.42 g/mol, XLogP of 4.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-cyclopentylpyrrolidin-1-yl)ethyl]-5-methoxyphenol is sourced from PubChem (CID 82956837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).